(2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid

C26H35NO7 — CID 11005227

About (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid

(2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid (PubChem CID 11005227) has the molecular formula C26H35NO7 and a molecular weight of 473.57 g/mol. Its IUPAC name is (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid.

Molecular Properties

• Compound Name: (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid
• PubChem CID: 11005227
• Molecular Formula: C26H35NO7
• Molecular Weight: 473.57 g/mol
• Exact Mass: 473.24
• IUPAC Name: (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid
• SMILES: COC[C@H]([C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)O)N(C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C26H35NO7/c1-26(2,3)34-25(30)27(4)21(18-31-5)22(32-16-19-12-8-6-9-13-19)23(24(28)29)33-17-20-14-10-7-11-15-20/h6-15,21-23H,16-18H2,1-5H3,(H,28,29)/t21-,22-,23-/m1/s1
• InChIKey: KIRDEFIJFOORBX-DNVJHFABSA-N
• XLogP: 4.12
• TPSA: 94.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.57
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid?

The IUPAC name of (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid (CID 11005227) is (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid.

What is the SMILES notation for (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid?

The canonical SMILES for (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid is COC[C@H]([C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)O)N(C)C(=O)OC(C)(C)C.

What is the InChIKey of (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid?

The InChIKey is KIRDEFIJFOORBX-DNVJHFABSA-N. The full InChI is InChI=1S/C26H35NO7/c1-26(2,3)34-25(30)27(4)21(18-31-5)22(32-16-19-12-8-6-9-13-19)23(24(28)29)33-17-20-14-10-7-11-15-20/h6-15,21-23H,16-18H2,1-5H3,(H,28,29)/t21-,22-,23-/m1/s1.

What are the key properties of (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid?

(2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid has a molecular weight of 473.57 g/mol, XLogP of 4.12, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R)-5-methoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-bis(phenylmethoxy)pentanoic acid is sourced from PubChem (CID 11005227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).